methyl {[5-(phenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[5-(phenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
methyl {[5-(phenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | Y206-5317 |
| Compound Name: | methyl {[5-(phenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 319.38 |
| Molecular Formula: | C15 H17 N3 O3 S |
| Smiles: | COC(CSc1nnc(COc2ccccc2)n1CC=C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0509 |
| logD: | 2.0509 |
| logSw: | -2.2124 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.545 |
| InChI Key: | LXDBMRVPDOFBBO-UHFFFAOYSA-N |